N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine

C67H48N2O — CID 129311783

IUPACN-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine
SMILESC1=CC(N2c3ccccc3C3C=C(c4cccc(-c5cccc(N(c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c6ccc7c(c6)oc6ccccc67)c5)c4)C=CC32)=CCC1
InChIInChI=1S/C67H48N2O/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)59-43-53(36-38-62(59)67)68(54-35-37-58-57-30-12-15-33-65(57)70-66(58)44-54)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-39-64-60(42-48)56-29-11-14-32-63(56)69(64)51-25-8-3-9-26-51/h1-2,4-8,10-44,60,64H,3,9H2
InChIKeyMPNNMHGEONEMEQ-UHFFFAOYSA-N
MW897.13 g/mol
LogP17.25
Rot. Bonds8

About N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine

N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine (PubChem CID 129311783) has the molecular formula C67H48N2O and a molecular weight of 897.13 g/mol. Its IUPAC name is N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine
PubChem CID129311783
Molecular FormulaC67H48N2O
Molecular Weight897.13 g/mol
Exact Mass896.38
IUPAC NameN-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine
SMILESC1=CC(N2c3ccccc3C3C=C(c4cccc(-c5cccc(N(c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c6ccc7c(c6)oc6ccccc67)c5)c4)C=CC32)=CCC1
InChIInChI=1S/C67H48N2O/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)59-43-53(36-38-62(59)67)68(54-35-37-58-57-30-12-15-33-65(57)70-66(58)44-54)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-39-64-60(42-48)56-29-11-14-32-63(56)69(64)51-25-8-3-9-26-51/h1-2,4-8,10-44,60,64H,3,9H2
InChIKeyMPNNMHGEONEMEQ-UHFFFAOYSA-N
XLogP17.25
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.13
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(9,9-diphenylfluoren-3-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 129256023
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425002
N-phenyl-7-[9-(3-phenylphenyl)fluoren-9-yl]-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163646447
N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-[3-(9-cyclohexylfluoren-9-yl)phenyl]-6-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 161111008
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine (CID 129311783) is N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine is C1=CC(N2c3ccccc3C3C=C(c4cccc(-c5cccc(N(c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c6ccc7c(c6)oc6ccccc67)c5)c4)C=CC32)=CCC1.
What is the InChIKey of N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine?
The InChIKey is MPNNMHGEONEMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2O/c1-4-21-49(22-5-1)67(50-23-6-2-7-24-50)61-31-13-10-28-55(61)59-43-53(36-38-62(59)67)68(54-35-37-58-57-30-12-15-33-65(57)70-66(58)44-54)52-27-17-20-47(41-52)45-18-16-19-46(40-45)48-34-39-64-60(42-48)56-29-11-14-32-63(56)69(64)51-25-8-3-9-26-51/h1-2,4-8,10-44,60,64H,3,9H2.
What are the key properties of N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine?
N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine has a molecular weight of 897.13 g/mol, XLogP of 17.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(9-cyclohexa-1,5-dien-1-yl-4a,9a-dihydrocarbazol-3-yl)phenyl]phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 129311783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).